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90777-48-3 | 4-Piperidinone, 1-(2-benzothiazolylthio)-2,2,6,6-tetramethyl-
CAS No: 90777-48-3 Catalog No: AG006AHA MDL No:
Product Description
Catalog Number:
AG006AHA
Chemical Name:
4-Piperidinone, 1-(2-benzothiazolylthio)-2,2,6,6-tetramethyl-
CAS Number:
90777-48-3
Molecular Formula:
C16H20N2OS2
Molecular Weight:
320.4728
IUPAC Name:
1-(1,3-benzothiazol-2-ylsulfanyl)-2,2,6,6-tetramethylpiperidin-4-one
InChI:
InChI=1S/C16H20N2OS2/c1-15(2)9-11(19)10-16(3,4)18(15)21-14-17-12-7-5-6-8-13(12)20-14/h5-8H,9-10H2,1-4H3
InChI Key:
VWFWWBLANLSOAU-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)N(C(C1)(C)C)Sc1nc2c(s1)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.469g/mol
Monoisotopic Mass:
320.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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